N-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide

C16H25NO2 — CID 103899612

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC(C)(C)CCCO)c1
InChIInChI=1S/C16H25NO2/c1-13-6-4-7-14(10-13)11-15(19)17-12-16(2,3)8-5-9-18/h4,6-7,10,18H,5,8-9,11-12H2,1-3H3,(H,17,19)
InChIKeyLOJUGEFHZRIREL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.45
Rot. Bonds7

About N-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide

N-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide (PubChem CID 103899612) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide
PubChem CID103899612
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC(C)(C)CCCO)c1
InChIInChI=1S/C16H25NO2/c1-13-6-4-7-14(10-13)11-15(19)17-12-16(2,3)8-5-9-18/h4,6-7,10,18H,5,8-9,11-12H2,1-3H3,(H,17,19)
InChIKeyLOJUGEFHZRIREL-UHFFFAOYSA-N
XLogP2.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide
CID 103772365
2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899330
N-(4-bromo-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide
CID 114149387
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide
CID 103772274
N-(5-hydroxy-2,2-dimethylpentyl)-2-(4-sulfanylphenyl)acetamide
CID 106149651
N-(5-hydroxy-2,2-dimethylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 103901151
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-nitrophenyl)acetamide
CID 103772956
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-(3-methylphenyl)acetamide
CID 90498459
2-(4-acetamidophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 75441471
N-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide
CID 103899658
N-(4-bromo-2,2-dimethylbutyl)-3-(3-methylphenyl)propanamide
CID 114149455
N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(3-methylphenyl)acetamide
CID 95368841

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide (CID 103899612) is N-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCC(C)(C)CCCO)c1.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide?
The InChIKey is LOJUGEFHZRIREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-6-4-7-14(10-13)11-15(19)17-12-16(2,3)8-5-9-18/h4,6-7,10,18H,5,8-9,11-12H2,1-3H3,(H,17,19).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide?
N-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide has a molecular weight of 263.38 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 103899612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).